ChemSpider 2D Image | {[(E)-(9a-Hydroxy-4-methoxy-11-oxo-3,6a,9a,11-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-1(2H)-ylidene)amino]oxy}acetic acid | C19H15NO9

{[(E)-(9a-Hydroxy-4-methoxy-11-oxo-3,6a,9a,11-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-1(2H)-ylidene)amino]oxy}acetic acid

  • Molecular FormulaC19H15NO9
  • Average mass401.324 Da
  • Monoisotopic mass401.074677 Da
  • ChemSpider ID64884770

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

{[(E)-(9a-Hydroxy-4-methoxy-11-oxo-3,6a,9a,11-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-1(2H)-yliden)amino]oxy}essigsäure [German] [ACD/IUPAC Name]
{[(E)-(9a-Hydroxy-4-methoxy-11-oxo-3,6a,9a,11-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-1(2H)-ylidene)amino]oxy}acetic acid [ACD/IUPAC Name]
Acetic acid, 2-[[[(1E)-3,6a,9a,11-tetrahydro-9a-hydroxy-4-methoxy-11-oxocyclopenta[c]furo[3',2':4,5]furo[2,3-h][1]benzopyran-1(2H)-ylidene]amino]oxy]- [ACD/Index Name]
Acide {[(E)-(9a-hydroxy-4-méthoxy-11-oxo-3,6a,9a,11-tétrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromén-1(2H)-ylidène)amino]oxy}acétique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.8±0.1 g/cm3
Boiling Point: 747.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 405.7±35.7 °C
Index of Refraction: 1.738
Molar Refractivity: 91.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -1.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 71.9±7.0 dyne/cm
Molar Volume: 226.5±7.0 cm3

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